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Information card for entry 4073587
Preview
| Coordinates | 4073587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H81 B F4 P2 Ru |
|---|---|
| Calculated formula | C53 H81 B F4 P2 Ru |
| SMILES | [Ru]12345(=Pc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.c1(ccccc1)C.[B](F)(F)(F)[F-] |
| Title of publication | Ruthenium-Stabilized Low-Coordinate Phosphorus Atoms.p-Cymene Ligand as Reactivity Switch |
| Authors of publication | Menye-Biyogo, Richard; Delpech, Fabien; Castel, Annie; Pimienta, Véronique; Gornitzka, Heinz; Rivière, Pierre |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 20 |
| Pages of publication | 5091 |
| a | 10.669 ± 0.011 Å |
| b | 13.778 ± 0.013 Å |
| c | 18.348 ± 0.018 Å |
| α | 90.854 ± 0.016° |
| β | 95.22 ± 0.019° |
| γ | 99.5 ± 0.02° |
| Cell volume | 2648 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.381 |
| Residual factor for significantly intense reflections | 0.1102 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.2964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.756 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35. |
4073587.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073587.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073587.cif |
| 46433 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073585, 4073586, 4073587 via cif-deposit CGI script. |
4073587.cif |
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Users of the data should acknowledge the original authors of the
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